SCHEMBL9101503

SCHEMBL9101503

O=C(CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCc1cccs1)NCCCN1CCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.39
ADAM17 P78536 1/20 0.39
CCR4 P51679 1/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TYRO3 Q06418 1/20 0.36
ALDH1A1 P00352 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3694901 0.88 MAPT (0.47) MAPTADAM17KMT2ATP53RAB9A
SCHEMBL9107477 0.86 MAPT (0.49) MAPTADAM17KMT2ATP53RAB9A
SCHEMBL9105309 0.86 MAPT (0.47) MAPTADAM17CCR4KMT2ATP53
SCHEMBL9107398 0.85 KMT2A (0.40) MAPK1HSD17B10KMT2ATSHRRAB9A
SCHEMBL3699318 0.85 MAPT (0.42) MAPTRAB9AALDH1A1
SCHEMBL9106131 0.84 KMT2A (0.41) MAPK1HSD17B10KMT2ALIPGRAB9A
SCHEMBL3694999 0.84 MAPT (0.49) MAPTADAM17KMT2ATP53RAB9A
SCHEMBL9103782 0.84 MAPT (0.48) MAPTADAM17KMT2ATP53ALDH1A1
SCHEMBL9108290 0.83 MAPT (0.45) MAPTADAM17KMT2ATP53ALDH1A1
SCHEMBL3693912 0.83 MAPT (0.47) MAPTADAM17KMT2ATP53ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460798-A2 APAF-1 INHIBITOR COMPOUNDS Laboratorios SALVAT, S.A. (ES) 2012-06-06 EP disclosed